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159000-49-4 | 2-Octenoic acid, 8-hydroxy-2,6-dimethyl-, methyl ester, (2E,6R)-
CAS No: 159000-49-4 Catalog No: AG001QE7 MDL No:
Product Description
Catalog Number:
AG001QE7
Chemical Name:
2-Octenoic acid, 8-hydroxy-2,6-dimethyl-, methyl ester, (2E,6R)-
CAS Number:
159000-49-4
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
methyl (6R)-8-hydroxy-2,6-dimethyloct-2-enoate
InChI:
InChI=1S/C11H20O3/c1-9(7-8-12)5-4-6-10(2)11(13)14-3/h6,9,12H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChI Key:
MOBABZAVADBVLY-SECBINFHSA-N
SMILES:
OCC[C@@H](CC/C=C(/C(=O)OC)\C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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